Geometry & MOs

Info

ID:	155129
PubChem CID:	56320730
Reduced:	ClSO3N4H21C23 (1)
Stoich.:	ABC3D4E21F23 (1)
Weight, g/mol:	443.16452
ΔH_f, kcal/mol:	-26.41
Dipole, Da:	4.24
IP(EA), eV:	-8.71(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluorophenyl)-N-[3-[(3-hydroxybenzoyl)amino]propyl]quinoline-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C=C(S2)C(=O)NCCCNC(=O)C3=CC(=CC=C3)O)C4=CC=CC=C4Cl

DOS

IR

Vibrations